Basic information
- Standard SMILES
NC(Cc1cc(I)ccc1OCc1ccccc1)C(=O)O- InChIKey
DYVZPDZLFJBHIM-UHFFFAOYSA-N- Molecular formula
- C16H16INO3
- Average molar mass
- 397.21 g/mol
- Monoisotopic mass
- 397.01749
Names & identifiers
- Preferred name
- 2-Amino-3-(5-iodo-2-phenylmethoxyphenyl)propanoic acid
- IUPAC
- 2-amino-3-(5-iodo-2-phenylmethoxyphenyl)propanoic acid
Names & synonyms
SCHEMBL5157377
Database identifiers
- PubChem CID
- 69215940
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
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